N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide

C12H11F3N2OS — CID 65098584

IUPACN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide
SMILESNC(=S)C(NC(=O)c1c(F)cc(F)cc1F)C1CC1
InChIInChI=1S/C12H11F3N2OS/c13-6-3-7(14)9(8(15)4-6)12(18)17-10(11(16)19)5-1-2-5/h3-5,10H,1-2H2,(H2,16,19)(H,17,18)
InChIKeyXREHFFRZDHYHTR-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.90
Rot. Bonds4

About N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide

N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide (PubChem CID 65098584) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide
PubChem CID65098584
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC NameN-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide
SMILESNC(=S)C(NC(=O)c1c(F)cc(F)cc1F)C1CC1
InChIInChI=1S/C12H11F3N2OS/c13-6-3-7(14)9(8(15)4-6)12(18)17-10(11(16)19)5-1-2-5/h3-5,10H,1-2H2,(H2,16,19)(H,17,18)
InChIKeyXREHFFRZDHYHTR-UHFFFAOYSA-N
XLogP1.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
CID 65100401
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210336
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-bromo-3-fluorobenzamide
CID 81499388
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-bromo-3-hydroxybenzamide
CID 114103923
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744881
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-bromo-3-chlorobenzamide
CID 81296092
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-bromo-4-chlorobenzamide
CID 107999073
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-chloro-2-hydroxybenzamide
CID 61122009
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2-bromo-3-methylbenzamide
CID 114023827
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103401824
3-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-1,1-dimethylurea
CID 79154410

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide (CID 65098584) is N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide is NC(=S)C(NC(=O)c1c(F)cc(F)cc1F)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide?
The InChIKey is XREHFFRZDHYHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-6-3-7(14)9(8(15)4-6)12(18)17-10(11(16)19)5-1-2-5/h3-5,10H,1-2H2,(H2,16,19)(H,17,18).
What are the key properties of N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide?
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide has a molecular weight of 288.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 65098584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).